[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 3-[(4-benzyl-1-piperidyl)sulfonyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorobenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonyl-4-chloro-benzoic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O5S/c1-15(21(24)26)30-22(27)18-7-8-19(23)20(14-18)31(28,29)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3,(H2,24,26)/t15-/m0/s1